N,N'-bis[(6'-pyrid-2''-yl)aminopyrid-2'-yl]bismethyl-2,6-diaminopyridine | 918634-19-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis[(6'-pyrid-2''-yl)aminopyrid-2'-yl]bismethyl-2,6-diaminopyridine
• 英文别名: H2mpeptea；6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)pyridin-2-yl]amino]pyridin-2-yl]-2-N-pyridin-2-ylpyridine-2,6-diamine
• CAS: 918634-19-2
• 化学式: C₂₇H₂₅N₉
• 分子量: 475.556
• InChiKey: NHEBJUCWIFJMRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  95
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N,N'-bis[(6'-pyrid-2''-yl)aminopyrid-2'-yl]bismethyl-2,6-diaminopyridine 、 二氯甲烷 、 cobalt(II) chloride 在 naphthalene 、 CH₃CH₂CH₂CH₂OK 作用下， 以 正丁醇 为溶剂， 以53%的产率得到[Co3(N,N'-bis[(6'-pyrid-2''-yl)aminopyrid-2'-yl]-bismethyl-2,6-diaminopyridine)2]Cl2*3(dichloromethane)*H2O
  参考文献：
  名称：

  Symmetrical linear Co36+ chains cocooned by two polypyridylamide ligands: How do they compare to open chains?

  摘要：

  Two extended metal atom chain (EMAC) compounds having a symmetrical Co-3(6+) metal chain encapsulated by two N,N'-bis[(6'-pyrid-2 ''-yl)aminopyrid-2'yl]-bismethyl-2,6-diaminopyridinate (mpeptea) ligands have been prepared in good yield, and they have been structurally characterized by X-ray crystallography, magnetic and electrochemical measurements and spectroscopic techniques. For the EMAC [Co-3(mpeptea)(2)]Cl-2 two solvates have been crystallized. Anion exchange has also allowed isolation of [Co-3(mpeptea)(2)](BPh4)(2). In these three species the Co-3(6+) units are cocooned within two polypyridine ligands having nine nitrogen atoms although only seven of these coordinate to the metal centers. The cations [Co-3(mpeptea)(2)](2+) are similar and have Co center dot center dot center dot Co separations of ca. 2.3 angstrom at 213 K. These distances are consistent with partial bond formation between Co atoms. Electrochemical measurements show a unique one-electron oxidation process that differs from that in open chain species which show two reversible oxidation processes. At 300 K, the chi T value is 7.32 emu K mol (1) but this value drops to 1.47 emu K mol (1) as the temperature is lowered to 2 K. The X-band EPR spectra for Co-3(mpeptea)(2)(2+) show g values of 2.3 at room temperature. The magnetic behavior is quite different from that in compounds with open Co-3(6+) units. A discussion is provided. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.04.045
• 作为产物：
  描述：

  N,N'-dimethylpyridine-2,6-diamine 在 tris(dibenzylideneacetone)dipalladium (0) 、 sodium hydride 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 109.5h， 生成 N,N'-bis[(6'-pyrid-2''-yl)aminopyrid-2'-yl]bismethyl-2,6-diaminopyridine
  参考文献：
  名称：

  A trimetal chain cocooned by two heptadentate polypyridylamide ligands

  摘要：

  报道了一种镍化合物，其特征是由两个互扣的七牙二阴离子紧密包裹着由三种金属原子组成的链条，这些二阴离子源自于由五个吡啶基团组成的链条，这些吡啶基团通过四个酰胺氮原子在2位或2位和6位链接在一起。这种新型的扩展金属原子链（EMAC）化合物与早期的不同，因为在轴向位置的配体交换无法发生，因为轴向配体是整个配体的一部分。报道了四种此类化合物，所有化合物均已进行晶体学表征。这项工作是一个概念验证项目，未来将扩展到其他金属以及这些和其他同系配体。

  DOI：

  10.1039/b612076h

文献信息

• A trimetal chain cocooned by two heptadentate polypyridylamide ligands
  作者：F. Albert Cotton、Hui Chao、Carlos A. Murillo、Qingsheng Wang

  DOI：10.1039/b612076h

  日期：——

  Compounds of nickel in which a chain of three metal atoms is closely embraced by two interlocking heptadentate dianions derived from a chain of five pyridyl groups linked at the 2, or 2 and 6, positions by four amide nitrogen atoms are reported. This new type of extended metal atom chain (EMAC) compound differs from earlier ones in that ligand exchange at the axial positions cannot occur, because the axial ligands are part of the entire ligand. Four such compounds, all crystallographically characterized, are reported. This work is a proof-of-concept project that will be extended to other metals with these and other homologous ligands.

  报道了一种镍化合物，其特征是由两个互扣的七牙二阴离子紧密包裹着由三种金属原子组成的链条，这些二阴离子源自于由五个吡啶基团组成的链条，这些吡啶基团通过四个酰胺氮原子在2位或2位和6位链接在一起。这种新型的扩展金属原子链（EMAC）化合物与早期的不同，因为在轴向位置的配体交换无法发生，因为轴向配体是整个配体的一部分。报道了四种此类化合物，所有化合物均已进行晶体学表征。这项工作是一个概念验证项目，未来将扩展到其他金属以及这些和其他同系配体。
• Symmetrical linear Co36+ chains cocooned by two polypyridylamide ligands: How do they compare to open chains?
  作者：F. Albert Cotton、Carlos A. Murillo、Qingsheng Wang

  DOI：10.1016/j.ica.2010.04.045

  日期：2010.12

  Two extended metal atom chain (EMAC) compounds having a symmetrical Co-3(6+) metal chain encapsulated by two N,N'-bis[(6'-pyrid-2 ''-yl)aminopyrid-2'yl]-bismethyl-2,6-diaminopyridinate (mpeptea) ligands have been prepared in good yield, and they have been structurally characterized by X-ray crystallography, magnetic and electrochemical measurements and spectroscopic techniques. For the EMAC [Co-3(mpeptea)(2)]Cl-2 two solvates have been crystallized. Anion exchange has also allowed isolation of [Co-3(mpeptea)(2)](BPh4)(2). In these three species the Co-3(6+) units are cocooned within two polypyridine ligands having nine nitrogen atoms although only seven of these coordinate to the metal centers. The cations [Co-3(mpeptea)(2)](2+) are similar and have Co center dot center dot center dot Co separations of ca. 2.3 angstrom at 213 K. These distances are consistent with partial bond formation between Co atoms. Electrochemical measurements show a unique one-electron oxidation process that differs from that in open chain species which show two reversible oxidation processes. At 300 K, the chi T value is 7.32 emu K mol (1) but this value drops to 1.47 emu K mol (1) as the temperature is lowered to 2 K. The X-band EPR spectra for Co-3(mpeptea)(2)(2+) show g values of 2.3 at room temperature. The magnetic behavior is quite different from that in compounds with open Co-3(6+) units. A discussion is provided. (C) 2010 Elsevier B. V. All rights reserved.